4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide

C16H18N6O2 — CID 154756701

IUPAC4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide
SMILESCN1C(=O)C[C@@H](NC(=O)c2cc(C#N)cn2C)[C@@H]1c1ccnn1C
InChIInChI=1S/C16H18N6O2/c1-20-9-10(8-17)6-13(20)16(24)19-11-7-14(23)21(2)15(11)12-4-5-18-22(12)3/h4-6,9,11,15H,7H2,1-3H3,(H,19,24)/t11-,15-/m1/s1
InChIKeyVSOQJFKCTZGMPC-IAQYHMDHSA-N
MW326.36 g/mol
LogP0.33
Rot. Bonds3

About 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide

4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide (PubChem CID 154756701) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide
PubChem CID154756701
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide
SMILESCN1C(=O)C[C@@H](NC(=O)c2cc(C#N)cn2C)[C@@H]1c1ccnn1C
InChIInChI=1S/C16H18N6O2/c1-20-9-10(8-17)6-13(20)16(24)19-11-7-14(23)21(2)15(11)12-4-5-18-22(12)3/h4-6,9,11,15H,7H2,1-3H3,(H,19,24)/t11-,15-/m1/s1
InChIKeyVSOQJFKCTZGMPC-IAQYHMDHSA-N
XLogP0.33
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide
CID 128989098
N-[(2S,3S)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 154869795
2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide
CID 128989105
N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 128989099
3-cyclopropyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 128989245
(4R,5R)-4-(1,3-benzoxazol-2-ylamino)-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980664
(4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980646
[(2S,3R)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidin-3-yl]methyl 4-cyano-1-methylpyrrole-2-carboxylate
CID 97222380
1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea
CID 126804581
(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one
CID 128971132
2-(3-methoxyphenyl)-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]acetamide
CID 128989265
(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 128969536

Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide (CID 154756701) is 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide is CN1C(=O)C[C@@H](NC(=O)c2cc(C#N)cn2C)[C@@H]1c1ccnn1C.
What is the InChIKey of 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide?
The InChIKey is VSOQJFKCTZGMPC-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-20-9-10(8-17)6-13(20)16(24)19-11-7-14(23)21(2)15(11)12-4-5-18-22(12)3/h4-6,9,11,15H,7H2,1-3H3,(H,19,24)/t11-,15-/m1/s1.
What are the key properties of 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide?
4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 154756701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).